Compound Detail
CHEMBL395429
OXYTOCIN 💊 Approved Drug
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💊 Approved Drug
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL395429 |
| Name | OXYTOCIN |
| Phase | Approved |
| Structure Type | BOTH |
| InChI Key | XNOPRXBHLZRZKH-DSZYJQQASA-N |
| Therapeutic | ✓ Yes |
9
Targets
69
Activities
4
Assay Types
11
PK Parameters
20
Publications
14
Known Names
20
Indications
1
Mechanisms
Molecular Properties
1007.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| First Approval | 1980 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Oxytocin receptor agonist | AGONIST | Oxytocin receptor | ✓ | ✓ |
Indications
Hemorrhage Uterine Inertia Alcoholism Child Development Disorders, Pervasive Dystocia Myoma Postpartum Hemorrhage Schizophrenia Tinnitus Aging Atrophic Vaginitis Atrophy Autistic Disorder Carcinoma, Intraductal, Noninfiltrating Chronic Pain Cocaine-Related Disorders Depressive Disorder Feeding and Eating Disorders Fragile X Syndrome Frontotemporal Dementia
ATC Classification
H01BB02
oxytocin
Level 1: SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
Level 2: PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
Drug Warnings
Black Box Warning
General Warning
Activity Summary
EC50 44 meas. best 11.0
Ki 22 meas. best 9.36
Kd 2 meas. best 8.17
IC50 1 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxytocin receptor CHEMBL2049 | EC50 | 11.0 | 8.8283 | 0.0 | 18 |
| Vasopressin V1a receptor CHEMBL1889 | EC50 | 9.74 | 8.2756 | 0.2 | 9 |
| Vasopressin V1b receptor CHEMBL1921 | EC50 | 9.7 | 7.7267 | 0.2 | 6 |
| Oxytocin receptor CHEMBL2049 | Ki | 9.36 | 8.8536 | 0.4 | 11 |
| Rattus norvegicus CHEMBL376 | EC50 | 9.3 | 9.26 | 0.5 | 2 |
| Oxytocin receptor CHEMBL3996 | Ki | 9.05 | 8.91 | 0.9 | 2 |
| Myometrium CHEMBL613647 | EC50 | 8.77 | 8.77 | 1.7 | 1 |
| Oxytocin receptor CHEMBL3243907 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Oxytocin receptor CHEMBL2049 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
| Oxytocin receptor CHEMBL2049 | Kd | 8.17 | 8.17 | 6.7 | 2 |
| Vasopressin V2 receptor CHEMBL1790 | EC50 | 8.14 | 7.1125 | 7.3 | 4 |
| Vasopressin V1a receptor CHEMBL1889 | Ki | 7.7 | 7.25 | 20.0 | 4 |
| Vasopressin V2 receptor CHEMBL3766 | Ki | 7.21 | 7.135 | 61.0 | 2 |
| Vasopressin V2 receptor CHEMBL1790 | Ki | 5.81 | 5.635 | 1544.0 | 2 |
| Vasopressin V1b receptor CHEMBL1921 | Ki | 5.75 | 5.75 | 1782.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 21.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 0.85 | % | Rattus norvegicus |
| T1/2 | 2.967 | hr | Rattus norvegicus |
| T1/2 | 11.6 | hr | Homo sapiens |
| T1/2 | 0.05 | hr | Rattus norvegicus |
| T1/2 | 0.03333 | hr | Mus musculus |
| T1/2 | 0.0485 | hr | Mus musculus |
| T1/2 | 0.1473 | hr | Mus musculus |
| T1/2 | 0.2538 | hr | Homo sapiens |
| T1/2 | 24.0 | hr | - |
| T1/2 | 0.1333 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine